methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate

C10H16N2O4 — CID 2959122

IUPACmethyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
SMILESCCC(=O)N1CCNC(=O)C1CC(=O)OC
InChIInChI=1S/C10H16N2O4/c1-3-8(13)12-5-4-11-10(15)7(12)6-9(14)16-2/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyQEAWEWFLIOWNTO-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.71
Rot. Bonds3

About methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate

methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate (PubChem CID 2959122) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
PubChem CID2959122
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
SMILESCCC(=O)N1CCNC(=O)C1CC(=O)OC
InChIInChI=1S/C10H16N2O4/c1-3-8(13)12-5-4-11-10(15)7(12)6-9(14)16-2/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyQEAWEWFLIOWNTO-UHFFFAOYSA-N
XLogP-0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-oxopiperazin-2-yl)acetate
CID 2998378
Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
2-(1-Methyl-3-oxopiperazin-2-yl)acetic acid
CID 653824
Aspartyl-alanyl-diketopiperazine
CID 9815453
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
4-(2,2-Dimethyl-3-oxo-piperazin-1-yl)-4-oxo-butyric acid
CID 1089068
Ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
CID 2133505
Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
Ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
CID 2996871
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Cairomycin A
CID 133131
Methyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 21738762

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate (CID 2959122) is methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate is CCC(=O)N1CCNC(=O)C1CC(=O)OC.
What is the InChIKey of methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate?
The InChIKey is QEAWEWFLIOWNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-8(13)12-5-4-11-10(15)7(12)6-9(14)16-2/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate?
methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate has a molecular weight of 228.25 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate is sourced from PubChem (CID 2959122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).